Methods in Computational Chemistry

1. Front Matter

   Pages i-xiv

   PDF

2. Electron Correlation Effects on Atomic Properties

   • Karol Jankowski

   Pages 1-98

3. Calculation of P- and T-Violating Properties in Atoms and Molecules

   • Ann-Marie Mårtensson-Pendrill

   Pages 99-156

4. Theory and Computation of Molecular Properties

   • B. T. Pickup

   Pages 157-265

5. Perturbation Theory for Atomic and Molecular Properties

   • Stephen Wilson

   Pages 267-333

6. Back Matter

   Pages 335-349

   PDF

Providing specialist reviews and analyses of contemporary theories, algorithms, and techniques, this series aims to facilitate the effective exploitation of available computing power. The current volume focuses on the theoretical determination of atomic and molecular properties as related to wave functions, electron densities, and total energies.

• algorithms
• atomic properties
• chemistry
• computational chemistry
• molecule

• Rutherford Appleton Laboratory, Oxfordshire, England

  Stephen Wilson

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